(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole

C9H12N2 — CID 168976398

IUPAC(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
SMILESC=C(C)/C=C\C=C1/CN=CN1
InChIInChI=1S/C9H12N2/c1-8(2)4-3-5-9-6-10-7-11-9/h3-5,7H,1,6H2,2H3,(H,10,11)/b4-3-,9-5+
InChIKeyCPTPCLQPLKGHLJ-XBURUKCPSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds2

About (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole

(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole (PubChem CID 168976398) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole.

Molecular Properties

Compound Name(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
PubChem CID168976398
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
SMILESC=C(C)/C=C\C=C1/CN=CN1
InChIInChI=1S/C9H12N2/c1-8(2)4-3-5-9-6-10-7-11-9/h3-5,7H,1,6H2,2H3,(H,10,11)/b4-3-,9-5+
InChIKeyCPTPCLQPLKGHLJ-XBURUKCPSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-[[(2E,4E)-2-ethyl-5,6-difluorohexa-2,4-dienyl]amino]pent-2-enyl]-N'-methylmethanimidamide
CID 144287765
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
6-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89093625
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The IUPAC name of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole (CID 168976398) is (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole.
What is the SMILES notation for (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The canonical SMILES for (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole is C=C(C)/C=C\C=C1/CN=CN1.
What is the InChIKey of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The InChIKey is CPTPCLQPLKGHLJ-XBURUKCPSA-N. The full InChI is InChI=1S/C9H12N2/c1-8(2)4-3-5-9-6-10-7-11-9/h3-5,7H,1,6H2,2H3,(H,10,11)/b4-3-,9-5+.
What are the key properties of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole is sourced from PubChem (CID 168976398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).